(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone

C17H26N2O — CID 63626184

IUPAC(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-18-16-8-6-15(7-9-16)17(20)19-12-4-5-14(2)10-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyQQOWBHUUTFOQRF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds4

About (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone

(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone (PubChem CID 63626184) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
PubChem CID63626184
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-18-16-8-6-15(7-9-16)17(20)19-12-4-5-14(2)10-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3
InChIKeyQQOWBHUUTFOQRF-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830

Frequently Asked Questions

What is the IUPAC name of (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone?
The IUPAC name of (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone (CID 63626184) is (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone?
The canonical SMILES for (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCCC(C)CC2)cc1.
What is the InChIKey of (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone?
The InChIKey is QQOWBHUUTFOQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-18-16-8-6-15(7-9-16)17(20)19-12-4-5-14(2)10-13-19/h6-9,14,18H,3-5,10-13H2,1-2H3.
What are the key properties of (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone?
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone has a molecular weight of 274.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 63626184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).